5SN6
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434942
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 138.139, 65.768, 84.530 |
| Unit cell angles | 90.00, 93.79, 90.00 |
Refinement procedure
| Resolution | 84.340 - 1.750 |
| R-factor | 0.1859 |
| Rwork | 0.184 |
| R-free | 0.22460 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.501 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 84.340 | 84.340 | 1.840 |
| High resolution limit [Å] | 1.750 | 5.520 | 1.750 |
| Rmerge | 0.121 | 0.039 | 1.024 |
| Rmeas | 0.145 | 0.046 | 1.293 |
| Rpim | 0.079 | 0.025 | 0.778 |
| Total number of observations | 244771 | 8211 | 29219 |
| Number of reflections | 76300 | ||
| <I/σ(I)> | 6.9 | 22.8 | 1 |
| Completeness [%] | 99.4 | 98.9 | 99.5 |
| Redundancy | 3.2 | 3.3 | 2.6 |
| CC(1/2) | 0.994 | 0.997 | 0.433 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
